2-Methyldibenz[b,e]oxepin-11(6H)-one
Basic information
- CAS
23560-66-9- Standard SMILES
Cc1ccc2c(c1)C(=O)c1ccccc1CO2- InChIKey
QKBZVICFFSSIDH-UHFFFAOYSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Names & identifiers
- Preferred name
- 2-Methyldibenz[b,e]oxepin-11(6H)-one
- IUPAC
- 2-methyl-6H-benzo[c][1]benzoxepin-11-one
- English name
- 5-methyl-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
- Molecular formula
- C15H12O2
- Molecular weight
- 224.25
Names & synonyms
23560-66-92-Methyldibenz[b,e]oxepin-11(6H)-one2-Methyldibenz(b,e)oxepin-11(6H)-oneRefChem:2638092-methyldibenzo[b,e]oxepin-11(6H)-one2-methyl-6H-benzo[c][1]benzoxepin-11-one5-methyl-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-oneDibenz[b,e]oxepin-11(6H)-one, 2-methyl-Oprea1_510937SCHEMBL8798148QKBZVICFFSSIDH-UHFFFAOYSA-NDTXSID101289141
Show more names
Tropicamide Impurity 10Olopatadine Impurity 46
2-methyldibenzo[b,e]oxepin-11-oneMFCD02169930AKOS005107779MS-2226H57694
Database identifiers
- CAS
23560-66-9- PubChem CID
- 677941
- DTXSID
DTXSID101289141
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 106 · 106-108 °C(Solv: hexane (110-54-3))
- Boiling point
- 406.2 · 406.2±45.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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